Information card for entry 4129053

Structure parameters

• Formula: C92.5 H60
• Calculated formula: C92.5 H60
• Title of publication: Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.
• Authors of publication: Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 16.8035 ± 0.0001 Å
• b: 44.6481 ± 0.0002 Å
• c: 33.5757 ± 0.0002 Å
• α: 90°
• β: 94.1993 ± 0.0005°
• γ: 90°
• Cell volume: 25122.4 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No